SCHEMBL21389623

SCHEMBL21389623

CCC(C)(C)OCC(C)(C)OP

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28439629 0.80
Bromide SCHEMBL30492612 0.77
Hydrochloric Acid SCHEMBL30492650 0.77
SCHEMBL21587465 0.76 TSHR (0.41) ALDH1A1TSHRTDP1
SCHEMBL4546723 0.75 TSHR (0.45) ALDH1A1TSHRTDP1
SCHEMBL9750838 0.75 TSHR (0.45) ALDH1A1TSHRTDP1
SCHEMBL19389597 0.74 ALDH1A1 (0.39) ALDH1A1TSHRTDP1
SCHEMBL4837723 0.74 ALDH1A1 (0.39) ALDH1A1TSHRTDP1
SCHEMBL16596099 0.72 TSHR (0.43) ALDH1A1TSHRTDP1
SCHEMBL6673656 0.72 TSHR (0.43) ALDH1A1TSHRTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793605-B2 Conformationally-preorganized, miniPEG-containing γ-peptide nucleic acids CARNEGIE MELLON UNIVERSITY (US) 2020-10-06 US disclosed
US-20190292227-A1 CONFORMATIONALLY-PREORGANIZED, MINIPEG-CONTAINING GAMMA-PEPTIDE NUCLEIC ACIDS CARNEGIE MELLON UNIVERSITY (US) 2019-09-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10793605-B2 Conformationally-preorganized, miniPEG-containing γ-peptide nucleic acids POLL, PCNA, POLG ALDH1A1 4289/4885TSHR 1442/4885TDP1 419/4885
US-20190292227-A1 CONFORMATIONALLY-PREORGANIZED, MINIPEG-CONTAINING GAMMA-PEPTIDE NUCLEIC ACIDS POLL, PCNA, POLG ALDH1A1 4116/4885TSHR 1396/4885TDP1 360/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.